N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methoxyphenyl)urea
Chemical Structure Depiction of
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methoxyphenyl)urea
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | D469-0057 |
| Compound Name: | N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | CC1(C)Cc2ccccc2C(=C1C#N)NC(Nc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7567 |
| logD: | 4.711 |
| logSw: | -4.5946 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.261 |
| InChI Key: | NWUPEQPCBSNJJQ-UHFFFAOYSA-N |